CID 3075941

2-(4-((1,1-dimethylethyl)amino)butoxy)-n-1h-indol-4-ylbenzamide (e)-2-butenedioate

Structural Information

Molecular Formula
C23H29N3O2
SMILES
CC(C)(C)NCCCCOC1=CC=CC=C1C(=O)NC2=CC=CC3=C2C=CN3
InChI
InChI=1S/C23H29N3O2/c1-23(2,3)25-14-6-7-16-28-21-12-5-4-9-18(21)22(27)26-20-11-8-10-19-17(20)13-15-24-19/h4-5,8-13,15,24-25H,6-7,14,16H2,1-3H3,(H,26,27)
InChIKey
PVDMLFJFFZEBNB-UHFFFAOYSA-N
Compound name
2-[4-(tert-butylamino)butoxy]-N-(1H-indol-4-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

379.22598 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.23326 194.1
[M+Na]+ 402.21520 198.7
[M-H]- 378.21870 198.7
[M+NH4]+ 397.25980 206.0
[M+K]+ 418.18914 192.9
[M+H-H2O]+ 362.22324 185.1
[M+HCOO]- 424.22418 214.5
[M+CH3COO]- 438.23983 221.8
[M+Na-2H]- 400.20065 198.0
[M]+ 379.22543 196.1
[M]- 379.22653 196.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe